E599-0646 Screening compound: 1-butyl-3-(3,5-dimethylbenzenesulfonyl)-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1,4-dihydroquinolin-4-one

E599-0646 Screening compound: 1-butyl-3-(3,5-dimethylbenzenesulfonyl)-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1,4-dihydroquinolin-4-one
E599-0646 Screening compound: 1-butyl-3-(3,5-dimethylbenzenesulfonyl)-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E599-0646
1-butyl-3-(3,5-dimethylbenzenesulfonyl)-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1,4-dihydroquinolin-4-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E599-0646

Molecular Formula

C28H35FN2O3S (C28 H35 FN2 O3 S)

Compound Name

1-butyl-3-(3,5-dimethylbenzenesulfonyl)-7-(3,5-dimethylpiperidin-1-yl)-6-fluoro-1,4-dihydroquinolin-4-one

IUPAC name

1-butyl-3-(35-dimethylbenzenesulfonyl)-7-(35-dimethylpiperidin-1-yl)-6-fluoro-14-dihydroquinolin-4-one

SMILES

CCCCN(C=C1S(c2cc(C)cc(C)c2)(=O)=O)c(cc(c(F)c2)N3CC(C)CC(C)C3)c2C1=O

InChI

InChI=1S/C28H35FN2O3S/c1-6-7-8-30-17-27(35(33,34)22-11-18(2)9-19(3)12-22)28(32)23-13-24(29)26(14-25(23)30)31-15-20(4)10-21(5)16-31/h9,11-14,17,20-21H,6-8,10,15-16H2,1-5H3

InChI Key

MNSBWUCDKAABJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14902997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.945

Distribution Coefficient, logD

5.945

Water Solubility, LogSw

-5.52

Polar Surface Area

48.332

Acid Dissociation Constant (pKa)

24.91

Base Dissociation Constant (pKb)

6.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.40

References: we are preparing a list of scientific research reports with E599-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E599-0646?
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What is the minimum amount of E599-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E599-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E599-0646
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E599-0646 available by request